4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid

C12H12N2O4 — CID 117232958

IUPAC4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2ncc(OC)c2C(=O)O)c1
InChIInChI=1S/C12H12N2O4/c1-17-9-5-3-4-8(6-9)14-11(12(15)16)10(18-2)7-13-14/h3-7H,1-2H3,(H,15,16)
InChIKeyZROXWARWMQMWJH-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.59
Rot. Bonds4

About 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid

4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 117232958) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
PubChem CID117232958
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2ncc(OC)c2C(=O)O)c1
InChIInChI=1S/C12H12N2O4/c1-17-9-5-3-4-8(6-9)14-11(12(15)16)10(18-2)7-13-14/h3-7H,1-2H3,(H,15,16)
InChIKeyZROXWARWMQMWJH-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 114797921
1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid
CID 117232486
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
1-(3-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652213
4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid
CID 117232488
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-(3-methoxyphenyl)-3-methylpyrrole-2-carboxylic acid
CID 82390675
1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid
CID 117232498
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
CID 82220360

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid (CID 117232958) is 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid is COc1cccc(-n2ncc(OC)c2C(=O)O)c1.
What is the InChIKey of 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is ZROXWARWMQMWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-9-5-3-4-8(6-9)14-11(12(15)16)10(18-2)7-13-14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).